Geometry & MOs

Info

ID:	49598
PubChem CID:	11533336
Reduced:	F2N2O6C25H34 (1)
Stoich.:	A2B2C6D25E34 (1)
Weight, g/mol:	496.243418
ΔH_f, kcal/mol:	-368.54
Dipole, Da:	7.8
IP(EA), eV:	-9.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-(2-morpholin-4-ylethoxy)-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC1C(C2=CC=CC=C2)(C(=O)NCC3[C@H]4[C@@H]3CNC4)O)(F)F.C(CCC(=O)O)CC(=O)O

DOS

IR

Vibrations